CID 24842047

97167-60-7

Structural Information

Molecular Formula
C20H26ClN3O2
SMILES
CC(C(=O)N1CCCC1)N2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H26ClN3O2/c1-16(20(26)24-9-2-3-10-24)22-11-13-23(14-12-22)19(25)8-7-17-5-4-6-18(21)15-17/h4-8,15-16H,2-3,9-14H2,1H3/b8-7+
InChIKey
NELFLVULPXMVNC-BQYQJAHWSA-N
Compound name
2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.17136 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17864 189.7
[M+Na]+ 398.16058 199.8
[M+NH4]+ 393.20518 195.4
[M+K]+ 414.13452 195.2
[M-H]- 374.16408 191.8
[M+Na-2H]- 396.14603 193.9
[M]+ 375.17081 191.6
[M]- 375.17191 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.